1-[2-(6-azanyl-7H-purin-2-yl)ethyl]pyridin-1-ium-3-carboxamide chloride

Systemtic Name: 1-[2-(6-azanyl-7H-purin-2-yl)ethyl]pyridin-1-ium-3-carboxamide chloride Openeye Name: 1-[2-(6-amino-7H-purin-2-yl)ethyl]pyridin-1-ium-3-carboxamide chloride CAS Name: 1-[2-(6-amino-7H-purin-2-yl)ethyl]-3-pyridin-1-iumcarboxamide chloride IUPAC Name: 1-[2-(6-amino-7H-purin-2-yl)ethyl]pyridin-1-ium-3-carboxamide chloride Traditional Name: 1-[2-(6-amino-7H-purin-2-yl)ethyl]pyridin-1-ium-3-carboxamide chloride Formula: C13H14ClN7O MolecularWeight: 319.74956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CCC2=NC3=C(C(=N2)N)NC=N3)C(=O)N.[Cl-]

Isomeric SMILES

C1=CC(=C[N+](=C1)CCC2=NC3=C(C(=N2)N)NC=N3)C(=O)N.[Cl-]

InChI

InChI=1S/C13H13N7O.ClH/c14-11-10-13(17-7-16-10)19-9(18-11)3-5-20-4-1-2-8(6-20)12(15)21;/h1-2,4,6-7H,3,5H2,(H4-,14,15,16,17,18,19,21);1H